ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate

C11H13F3N2O4S — CID 107482294

IUPACethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C11H13F3N2O4S/c1-2-20-10(19)8-15-7(5-21-8)9(18)16(3-4-17)6-11(12,13)14/h5,17H,2-4,6H2,1H3
InChIKeyKQLHJTJJXOCVJH-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.32
Rot. Bonds6

About ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate

ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate (PubChem CID 107482294) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate
PubChem CID107482294
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC Nameethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate
SMILESCCOC(=O)c1nc(C(=O)N(CCO)CC(F)(F)F)cs1
InChIInChI=1S/C11H13F3N2O4S/c1-2-20-10(19)8-15-7(5-21-8)9(18)16(3-4-17)6-11(12,13)14/h5,17H,2-4,6H2,1H3
InChIKeyKQLHJTJJXOCVJH-UHFFFAOYSA-N
XLogP1.32
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The IUPAC name of ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate (CID 107482294) is ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate.
What is the SMILES notation for ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The canonical SMILES for ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate is CCOC(=O)c1nc(C(=O)N(CCO)CC(F)(F)F)cs1.
What is the InChIKey of ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
The InChIKey is KQLHJTJJXOCVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c1-2-20-10(19)8-15-7(5-21-8)9(18)16(3-4-17)6-11(12,13)14/h5,17H,2-4,6H2,1H3.
What are the key properties of ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate?
ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate has a molecular weight of 326.30 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 107482294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).